- Nov 24, 2017
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Giovanni Bussi authored
I added a try/catch block so that any error that arises within a cmd() call is also reported on the log file (if open). In principle, this should allow removing all the duplicate code where we both write on the log and on the plumed_merror. Notice that in order to satisfy astyle the whole content of PlumedMain::cmd() has been indented so appears as changed in this commit. Actually, it is only indented. This commit closes #319
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- Nov 22, 2017
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Giovanni Bussi authored
I removed the word "Internal" since it looks like we are using this path to report also errors in the input files.
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Giovanni Bussi authored
Now exceptions are always enabled. As a consequence, I removed the requirement for "exceptions" in one regtest. Notice that this means that plumed v2.5 would skip this regtest as it is in v2.4.
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Giovanni Bussi authored
Using in-class constructor
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
I noticed that cache is not saved if brew is removed (apparently some travis tool requires a brew library)
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
ERMSD now gives the same results irrespectively of units.
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Giovanni Bussi authored
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Giovanni Bussi authored
The value of PLUMED_ROOT stored in statically patched MD code was incorrectly set to the compilation directory rather than the installed one. The only way to trigger the bug from regtest was by observing the behavior of rt-make-exceptions when plumed was installed by macports (since in this case the compilation directory is removed).
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Nov 15, 2017
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carlocamilloni authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Messages related to NOPBC keyword were wrong Thanks to @valsson
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carlocamilloni authored
- added some info in the error message of the parser - std::string everywhere
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carlocamilloni authored
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carlocamilloni authored
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- Nov 14, 2017
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carlocamilloni authored
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carlocamilloni authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Includes mention to ABIN code
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carlocamilloni authored
warning on periodicity for grids is now an error becasue the grid spacing can be completely wrong
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- Nov 13, 2017
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carlocamilloni authored
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carlocamilloni authored
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carlocamilloni authored
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carlocamilloni authored
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carlocamilloni authored
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carlocamilloni authored
- added default value for r_0 - simplified examples
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carlocamilloni authored
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carlocamilloni authored
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